CID 13839338

2-(but-3-yn-1-yl)oxane

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

C#CCCC1CCCCO1

InChI

InChI=1S/C9H14O/c1-2-3-6-9-7-4-5-8-10-9/h1,9H,3-8H2

InChIKey

KCGHAXIESNPEAP-UHFFFAOYSA-N

Compound name

2-but-3-ynyloxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 138.10446 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	139.11174	132.4
[M+Na]+	161.09368	143.5
[M+NH4]+	156.13828	137.9
[M+K]+	177.06762	134.1
[M-H]-	137.09718	127.7
[M+Na-2H]-	159.07913	134.7
[M]+	138.10391	131.8
[M]-	138.10501	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe